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THERMODYNAMIC PROPERTIES OF PURE FLUIDS

THERMODYNAMIC PROPERTIES OF PURE FLUIDS

C.G. GRAY

K.E. GUBBINS

C.G. JOSLIN

Publisher:

Oxford University Press

DOI:10.1093/acprof:oso/9780198556213.003.0006

This chapter gives an account of the statistical thermodynamics of pure fluids composed of non-spherical molecules. The early part of the chapter gives the derivation of equations for the various thermodynamic functions in terms of correlation functions and intermolecular forces, and includes discussion of quantum corrections and virial coefficients. The later parts of the chapter describe the application of molecular theory (perturbation theory, theory of hard non-spherical bodies, associating fluid theory) to the calculation of these properties, and compares these results with those from molecular simulations and experiments. The thermodynamics of nano-scale systems, in which some macroscopic laws and concepts may break down, are discussed at the end of the chapter. The mathematics of convex body geometry is given in an appendix.

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PRINTED FROM OXFORD SCHOLARSHIP ONLINE (www.oxfordscholarship.com). (c) Copyright Oxford University Press, 2016. All Rights Reserved. Under the terms of the licence agreement, an individual user may print out a PDF of a single chapter of a monograph in OSO for personal use (for details see http://www.oxfordscholarship.com/page/privacy-policy).date: 09 December 2016